Grundinformationen
- Standard-SMILES
Nc1ccc(N)cc1- InChIKey
CBCKQZAAMUWICA-UHFFFAOYSA-N- Summenformel
- C6H8N2
- Durchschnittliche Molmasse
- 108,14 g/mol
- Monoisotopische Masse
- 108,06874826
Namen und Bezeichner
- Bevorzugter Name
- P-Phenylenediamine
- IUPAC
- benzene-1,4-diamine
- Lokaler Name
- p-Phenylendiamin
- Englischer Name
- p-Phenylenediamine
- Summenformel
- C6H8N2
- Molmasse
- 108.14
Namen und Synonyme
p-Phenylenediamine106-50-31,4-BENZENEDIAMINE1,4-Diaminobenzene1,4-Phenylenediamine4-Aminoanilinepara-phenylenediaminep-Aminoanilinep-DiaminobenzeneOrsinParaphenylenediamineUrsol D
Weitere Namen anzeigen
BENZENE-1,4-DIAMINEPARA PHENYLENE DIAMINEJAROCOL PPDP-Phene Diamine
4-Phenylenediaminep-BenzenediamineFouramine DFutramine DBenzofur DDeveloper PFFourrine DFur Yellow
Datenbank-Bezeichner
- CAS
106-50-3- PubChem CID
- 7814
- DTXSID
DTXSID9021138- ChEMBL
CHEMBL403741- ChEBI
CHEBI:51403- UNII
- U770QIT64J
- EC Number
- 203-404-7
- Nikkaji
- J4.035E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 54
Physikochemische Eigenschaften
- Schmelzpunkt
- 138 · 138-143 °C (lit.)
- Siedepunkt
- 267 °C · 267 °C (lit.)
- Dichte
- 1.135 g/cm3 · 1.135 g/cm3 (20℃)
- Dampfdichte
- 3.7 · 3.7 (vs air)
- Dampfdruck
- 1.08 mm · 1.08 mm Hg ( 100 °C)
- Brechungsindex
- 1.6339 · 1.6339 (estimate)
- Flammpunkt
- 156 °C · 156 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Soluble in alcohol, chloroform, ether and hot benzene.
- Aggregatzustand
- Powder or Flakes
- pka
- 4.17 · 4.17(at 25℃)
- Farbe
- White, gray, or purple to brown
- PH
- 9 · 9 (50g/l, H2O, 20℃)
- Wasserlöslichkeit
- 47 g/L · 47 g/L (25 ºC)
- Merck
- 14 · 14,7285
- BRN
- 742029 · 742029
- Henry's Law Constant
- 7.1 · 7.1×102 mol/(m3Pa) at 25℃, Yaws (2003)
- Stabilität
- Stable, but oxidizes when exposed to air. Incompatible with oxidizing agents. Store under inert atmosphere.
- Major Application
- Nanoparticles, liquid crystal displays, chemical mechanical polishing, bottom antireflective coatings, electrochromic materials, inks, rubber, hair dyes, cosmetics, treatment of virus skin infection
- Kosmetik-Inhaltsstoffe Funktionen
- HAIR DYEING
- InChI
- 1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
- InChIKey
- CBCKQZAAMUWICA-UHFFFAOYSA-N
- SMILES
- Nc1ccc(N)cc1
- LogP
- -0.84 at · -0.84 at 20℃
- CAS Datenbank
- 106 · 106-50-3(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,4-Benzenediamine(106-50-3)
- EPA chemische Informationen
- p-Phenylenediamine (106-50-3)
Sicherheit und Regulatorisches
Sicherheitsdaten
- F
- 8-10-23
- OEB
- D
- OEL
- TWA: 0.1 mg/m3 [skin]
- wgk
- 3
- IDLA
- 25 mg/m3
- tsca
- TSCA listed
- ridadr
- UN 1673 (PHENYLENEDIAMINES (o-, m-, p-))
- hs_code
- 29215119
- RTECS-Nr.
- SS8050000
- risk_code
- 23/24/25-36-43-50/53-63-36/37/38-45-40-48/22-67-52/53
- Toxizität
- LD50 in rats (mg/kg): 80 orally, 37 i.p. (Burnett)
- hazard_code
- T,N,T+,Xn
- safety_code
- 28-36/37-45-60-61-28A-24/25-23-53-26
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Giftige Stoffe Daten
- 106-50-3(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Sens. 1STOT SE 1 Oral
- Selbstentzündungstemperatur
- 567 °C
Chemie und Industrie
Anwendungen
BeschreibungParaphenylenediamine (PPD) is a colorless compound oxidized by hydrogen peroxide in the presence of ammonia. It is then polymerized by a coupling agent to produce a color.
Verwendenp-Phenylenediamine is used for dyeing hairand fur, in the manufacture of azo dyes, inaccelerating vulcanization of rubber, and inantioxidants.
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Ergänzende Hinweise
DefinitionChEBI: A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.
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